3-[(2-chlorophenyl)methylsulfanyl]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile CAS Name: 3-[(2-chlorophenyl)methylthio]-7-methyl-1-(1-pyrrolidinyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-7-methyl-1-pyrrolidin-1-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile Traditional Name: 3-[(2-chlorobenzyl)thio]-7-methyl-1-pyrrolidino-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=NC(=C2C1)N3CCCC3)SCC4=CC=CC=C4Cl)C#N

Isomeric SMILES

CN1CCC2=C(C(=NC(=C2C1)N3CCCC3)SCC4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C21H23ClN4S/c1-25-11-8-16-17(12-23)21(27-14-15-6-2-3-7-19(15)22)24-20(18(16)13-25)26-9-4-5-10-26/h2-3,6-7H,4-5,8-11,13-14H2,1H3